![CAS 875639-78-4 5-Bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/875639-78-4.gif)
CAS RN: 875639-78-4
5-Bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251010 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS875639-78-4
- Purity/Analytical Methods: >99.0%
875639-78-4 / 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
Basic Information
CAS
875639-78-4
Multi CAS
No
Molecular Formula
BC14H11ORn2
Molecular Weight
303.150000
Exact Mass
302.005480
InChI
InChI=1S/C14H11BrN2O/c1-18-13-5-3-2-4-10(13)12-8-17-14-11(12)6-9(15)7-16-14/h2-8H,1H3,(H,16,17)
InChIKey
UWBXQMQUOGPEKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
75.78
TPSA
37.91
LogP / Solubility
WLOGP
4
MLOGP
3.53
XLogP3
3.6
Consensus LogP
3.71
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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